N-(3-acetamidophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridine-3-carboxamide

Systemtic Name: N-(3-acetamidophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridine-3-carboxamide Openeye Name: N-(3-acetamidophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridine-3-carboxamide CAS Name: N-(3-acetamidophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-3-pyridinecarboxamide IUPAC Name: N-(3-acetamidophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridine-3-carboxamide Traditional Name: N-(3-acetamidophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)nicotinamide Formula: C22H19N3O4S MolecularWeight: 421.46896

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)NC(=O)C2=C(N=CC=C2)SC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)NC(=O)C2=C(N=CC=C2)SC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C22H19N3O4S/c1-14(26)24-15-4-2-5-16(12-15)25-21(27)18-6-3-9-23-22(18)30-17-7-8-19-20(13-17)29-11-10-28-19/h2-9,12-13H,10-11H2,1H3,(H,24,26)(H,25,27)